[(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-5,11-dimethoxy-3,7,9,15-tetramethyl-20-nitroso-6,22-bis(oxidanyl)-16-oxidanylidene-21-(2-phosphonooxyethylamino)-17-azabicyclo[16.3.1]docosa-1(22),8,12,14,18,20-hexaen-10-yl] carbamate

Systemtic Name: [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-5,11-dimethoxy-3,7,9,15-tetramethyl-20-nitroso-6,22-bis(oxidanyl)-16-oxidanylidene-21-(2-phosphonooxyethylamino)-17-azabicyclo[16.3.1]docosa-1(22),8,12,14,18,20-hexaen-10-yl] carbamate Openeye Name: [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-6,22-dihydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-20-nitroso-16-oxo-21-(2-phosphonooxyethylamino)-17-azabicyclo[16.3.1]docosa-1(22),8,12,14,18,20-hexaen-10-yl] carbamate CAS Name: carbamic acid [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-6,22-dihydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-20-nitroso-16-oxo-21-(2-phosphonooxyethylamino)-17-azabicyclo[16.3.1]docosa-1(22),8,12,14,18,20-hexaen-10-yl] ester IUPAC Name: [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-6,22-dihydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-20-nitroso-16-oxo-21-(2-phosphonooxyethylamino)-17-azabicyclo[16.3.1]docosa-1(22),8,12,14,18,20-hexaen-10-yl] carbamate Traditional Name: carbamic acid [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-6,22-dihydroxy-16-keto-5,11-dimethoxy-3,7,9,15-tetramethyl-20-nitroso-21-(2-phosphonooxyethylamino)-17-azabicyclo[16.3.1]docosa-1(22),8,12,14,18,20-hexaen-10-yl] ester Formula: C30H45N4O12P MolecularWeight: 684.671661

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=C(C(=C(C(=C2)N=O)NCCOP(=O)(O)O)C1)O)C)OC)OC(=O)N)C)C)O)OC

Isomeric SMILES

C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=C(C(=C(C(=C2)N=O)NCCOP(=O)(O)O)C1)O)/C)OC)OC(=O)N)\C)C)O)OC

InChI

InChI=1S/C30H45N4O12P/c1-16-12-20-25(32-10-11-45-47(40,41)42)21(34-39)15-22(27(20)36)33-29(37)17(2)8-7-9-23(43-5)28(46-30(31)38)19(4)14-18(3)26(35)24(13-16)44-6/h7-9,14-16,18,23-24,26,28,32,35-36H,10-13H2,1-6H3,(H2,31,38)(H,33,37)(H2,40,41,42)/b9-7-,17-8+,19-14+/t16-,18+,23+,24+,26-,28+/m1/s1